Browsing by Author "38f72ab18ed5426283f93e0ab5159126"
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Muñoz, Francisco; Cardenas, Carlos; Rogan Castillo, José; Valdivia Hepp, Juan; Fuentealba Rosas, Patricio; Kiwi Tichauer, Miguel (2013)The dynamics of the collision process of a titanium dimer against a C 20 nanocluster in the bowl configuration is simulated by means ab initio molecular dynamics, focusing our interest on the first steps to synthesize ...

Gonzalez, Rafael I.; Valencia, F.; Rogan Castillo, José; Valdivia Hepp, Juan; Sofo, Jorge; Kiwi Tichauer, Miguel; Muñoz, Francisco (Royal Soc Chemistry, 2018)The bending process of 2D materials, subject to an external force, is investigated, and applied to graphene, molybdenum disulphide (MoS2), and imogolite. For graphene we obtained 3.43 eV angstrom(2) per atom for the bending ...

Carrasco, Sebastián; Rogan Castillo, José; Valdivia Hepp, Juan (Nature Publishing Group, 2017)The problem of controlling the quantum state of a system is investigated using a time varying potential. As a concrete example we study the problem of a particle in a box with a periodically oscillating infinite squarewell ...

Ramírez González, Max; Rogan Castillo, José; Valdivia Hepp, Juan; Varas, Alejandro; Kiwi Tichauer, Miguel (Walter de Gruyter, 2016)We characterize, by means of the definition of a generalized distance, the differences and similarities between binary nanoclusters. To define analytically, and to compute numerically this distance, we have generalized an ...

Rogan Castillo, José; Ramírez, Max; Muñoz, Víctor; Valdivia Hepp, Juan; García, Griselda; Ramírez, Ricardo; Kiwi Tichauer, Miguel (2009)The determination of the spatial distributions that atoms adopt to form condensed matter is a problem of crucial importance, since most physical properties depend on the atomic arrangement. This is especially relevant for ...

Valencia, F.; HernándezVázquez, E. E.; Bringa, E. M.; Morán López, J. L.; Rogan Castillo, José; González, R. I.; Muñoz, F. (The Royal Society of Chemistry, 20180628)We studied the soft landing of Ni atoms on a previously damaged graphene sheet by means of molecular dynamics simulations. We found a monotonic decrease of the cluster frequency as a function of its size, but few big ...

Díaz Rodríguez, Pablo; Muñoz Sáez, Francisco; Rogan Castillo, José; Martin Bragado, Ignacio; Perlado, J. M.; Peña Rodríguez, Ovidio; Rivera, Antonio; Valencia, Felipe (IOP, 2020)Plasmafacing materials (PFMs) for nuclear fusion, either in inertial confinement fusion (ICF) or in magnetic confinement fusion (MCF) approaches, must withstand extremely hostile irradiation conditions. Mitigation strategies ...

Valencia, Felipe; González, Rafael I.; Tramontina, Diego; Rogan Castillo, José; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Bringa, Eduardo (American Chemical Society, 20161020)The potential and properties of palladium hollow nano particles (hNPs) as a possible H storage material are explored by means of classical molecular dynamics (MD) simulations. First, we study the stability of pure Pd hNPs ...

González, Rafael I.; Rojas Núñez, Javier; Valencia, Felipe; Muñoz Sáez, Francisco; Baltazar, Samuel; Allende, Sebastián; Rogan Castillo, José; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Ramírez, Ricardo; Greathouse, Jeffery A. (Elsevier, 2020)Imogolite is a fascinating inorganic nanotube that is found in nature or synthesized in a laboratory. The synthesis process is carried out in liquid media, and leads to the formation of almost monodisperse diameter nanotubes. ...

Valencia, Felipe J.; González, Rafael I.; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Bringa, Eduardo M.; Rogan Castillo, José (American Chemical Society, 2017)The large surfacetovolume ratio of hollow palladium nanoparticles (hNPs) offers room to improve their hydrogen storage capacity as well as their catalytic activity. However, a less explored possibility is to use, in ...

Valdivia Hepp, Juan; Toledo Cabrera, Benjamín; Gallo, N.; Muñoz Gálvez, Víctor; Rogan Castillo, José; Stepanova, M.; Moya Fuentes, Pablo; Navarro, R. E.; Viñas, A. F.; Araneda, J.; López, R. A.; Díaz, M. (Elsevier, 2016)The observations in the solar wind, which are usually organized in a betaanisotropy diagram, seem to be constrained by linear instability thresholds. Unexpectedly, under these quasistable conditions, there is a finite ...

González, Rafael I.; Rogan Castillo, José; Bringa, Eduardo; Valdivia Hepp, Juan (American Chemical Society, 2016)The mechanical response of aluminosilicate nano tubes (imogolite) under compression is investigated by means of classical molecular dynamics simulations using the CLAYFF potential. Using the uncompressed length L0, when ...

AguileraGranja, F.; Vega, Andrés; Rogan Castillo, José; García, G. (2007)We report a study of the nonmetalmetal transition of freestanding Pd N clusters (2≤N≤21) carried out through two different theoretical approaches that are extensively employed in electronic structure calculations: a ...

Wastavino, L. A.; Toledo Cabrera, Benjamín; Rogan Castillo, José; Zarama, R.; Muñoz, V.; Valdivia Hepp, Juan (2007)A simplified traffic model is studied, consisting of two vehicles traveling through a sequence of crossroads regulated by yield signs. A car approaching a yield sign stops if, in the other street, there is a car closer ...

Pastén, Denisse; Muñoz, Víctor; Cisternas, Armando; Rogan Castillo, José; Valdivia Hepp, Juan (2011)Statistical and fractal properties of the spatial distribution of earthquakes in the central zone of Chile are studied. In particular, data are shown to behave according to the wellknown GutenbergRichter law. The fractal ...

Carrasco, Sebastián; Varas, Alejandro; Rogan Castillo, José; Kiwi Tichauer, Miguel; Valdivia Hepp, Juan (Amer Physical Soc, 2016)The particleparticle interaction potential of an Natom cluster is expanded in nbody contributions. The expansion allows us to determine the magnitude of each one of the nbody terms, and consequently quantifies how ...

Kiwi Tichauer, Miguel; Muñoz, Francisco; García, Griselda; Ramírez, Ricardo; Rogan Castillo, José; Valdivia Hepp, Juan (2012)Collision processes between single gold and rhodium atoms and gold and rhodium nanoclusters, respectively, are used to study the interplay between the large elastic energies and the much smaller magnetic interactions. The ...

Figueroa, Joaquín; Rogan Castillo, José; Valdivia Hepp, Juan; Kiwi Tichauer, Miguel; Romero, Guillermo; Torres, Felipe (Nature Publishing Group, 2018)© 2018, The Author(s).Strong correlation effects emerge from lightmatter interactions in coupled resonator arrays, such as the Mottinsulator to superfluid phase transition of atomphoton excitations. We demonstrate that ...

Burrows Argote, Raquel; Correa Burrows, Paulina; Bunout Barnett, Daniel; Barrera Acevedo, Gladys; Rogan Castillo, José; Kim, Elissa; Blanco, Estela; Gahagan, Sheila (Wiley, 2020)Aim: We investigated the relation of time of onset and length of obesity with biomarkers of betacell function in early adulthood in an infancy cohort. Material and methods: In 1039 23yearolds, bodymass index (BMI) ...

Muñoz, Macarena; Varas, Alejandro; Cárdenas, Carlos; Rogan Castillo, José; Fuentealba Rosas, Patricio (2013)Weakly bonded Cadmium clusters have, even for small number of atoms, many isomers that are stable structures. Before any attempt to use ab initio calculations on these clusters, a limited set of good possible stable isomers ...